2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid

C16H15FN2O5 — CID 16774686

IUPAC2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)Nc2ccc(F)cc2)c(C(=O)O)cc1OC
InChIInChI=1S/C16H15FN2O5/c1-23-13-7-11(15(20)21)12(8-14(13)24-2)19-16(22)18-10-5-3-9(17)4-6-10/h3-8H,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyGETCEXNPHHDAPR-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.19
Rot. Bonds5

About 2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid

2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid (PubChem CID 16774686) has the molecular formula C16H15FN2O5 and a molecular weight of 334.30 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
PubChem CID16774686
Molecular FormulaC16H15FN2O5
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)Nc2ccc(F)cc2)c(C(=O)O)cc1OC
InChIInChI=1S/C16H15FN2O5/c1-23-13-7-11(15(20)21)12(8-14(13)24-2)19-16(22)18-10-5-3-9(17)4-6-10/h3-8H,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyGETCEXNPHHDAPR-UHFFFAOYSA-N
XLogP3.19
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea
CID 162371292
4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 10110546
2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-4,5-dimethoxybenzoic acid
CID 108795600
4,5-dimethoxy-2-(propan-2-ylcarbamoylamino)benzoic acid
CID 28737773
2-(dimethylaminocarbamoylamino)-4,5-dimethoxybenzoic acid
CID 83018527
1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 104848502
4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid
CID 107208628
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 63653506
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 57011310
2-[(4-fluorobenzoyl)amino]-4,5-dimethoxy-N-methylbenzamide
CID 34366934

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid (CID 16774686) is 2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid is COc1cc(NC(=O)Nc2ccc(F)cc2)c(C(=O)O)cc1OC.
What is the InChIKey of 2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid?
The InChIKey is GETCEXNPHHDAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5/c1-23-13-7-11(15(20)21)12(8-14(13)24-2)19-16(22)18-10-5-3-9(17)4-6-10/h3-8H,1-2H3,(H,20,21)(H2,18,19,22).
What are the key properties of 2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid?
2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid has a molecular weight of 334.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 16774686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).